2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide

C8H9ClFN3O — CID 166756934

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN3O/c1-8(2,6(11)14)5-4(10)3-12-7(9)13-5/h3H,1-2H3,(H2,11,14)
InChIKeyMPGWRMMEHXXESZ-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.03
Rot. Bonds2

About 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide

2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide (PubChem CID 166756934) has the molecular formula C8H9ClFN3O and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide
PubChem CID166756934
Molecular FormulaC8H9ClFN3O
Molecular Weight217.63 g/mol
Exact Mass217.04
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN3O/c1-8(2,6(11)14)5-4(10)3-12-7(9)13-5/h3H,1-2H3,(H2,11,14)
InChIKeyMPGWRMMEHXXESZ-UHFFFAOYSA-N
XLogP1.03
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide (CID 166756934) is 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide is CC(C)(C(N)=O)c1nc(Cl)ncc1F.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide?
The InChIKey is MPGWRMMEHXXESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3O/c1-8(2,6(11)14)5-4(10)3-12-7(9)13-5/h3H,1-2H3,(H2,11,14).
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide?
2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide has a molecular weight of 217.63 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 166756934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).